2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol

C21H17BrFN3O2 — CID 71596174

IUPAC2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17BrFN3O2/c22-15-3-10-19-25-20(14-1-8-18(9-2-14)28-12-11-27)21(26(19)13-15)24-17-6-4-16(23)5-7-17/h1-10,13,24,27H,11-12H2
InChIKeyBSVJCDVATSJEEB-UHFFFAOYSA-N
MW442.29 g/mol
LogP5.02
Rot. Bonds6

About 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol

2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (PubChem CID 71596174) has the molecular formula C21H17BrFN3O2 and a molecular weight of 442.29 g/mol. Its IUPAC name is 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
PubChem CID71596174
Molecular FormulaC21H17BrFN3O2
Molecular Weight442.29 g/mol
Exact Mass441.05
IUPAC Name2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H17BrFN3O2/c22-15-3-10-19-25-20(14-1-8-18(9-2-14)28-12-11-27)21(26(19)13-15)24-17-6-4-16(23)5-7-17/h1-10,13,24,27H,11-12H2
InChIKeyBSVJCDVATSJEEB-UHFFFAOYSA-N
XLogP5.02
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.29
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (CID 71596174) is 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is OCCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is BSVJCDVATSJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3O2/c22-15-3-10-19-25-20(14-1-8-18(9-2-14)28-12-11-27)21(26(19)13-15)24-17-6-4-16(23)5-7-17/h1-10,13,24,27H,11-12H2.
What are the key properties of 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 442.29 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-3-(4-fluoroanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 71596174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).